SCHEMBL1301360

SCHEMBL1301360

CC(C)C[C@H](NC(=O)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.49
PTPN1 P18031 1/20 0.48
MMP3 P08254 6/20 0.46
MMP1 P03956 2/20 0.46
CTSK P43235 4/20 0.46
CAPN1 P07384 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1301358 0.93 SIRT5 (0.54) SIRT5PTPN1MMP3MMP1CTSK
SCHEMBL7071339 0.92 CTSK (0.56) SIRT5MMP3MMP1CTSKCAPN1
SCHEMBL3868962 0.88 SIRT5 (0.52) SIRT5MMP3MMP1
SCHEMBL3868955 0.88 SIRT5 (0.52) SIRT5MMP3MMP1
SCHEMBL3307438 0.85 MMP3 (0.62) SIRT5MMP3MMP1CTSK
SCHEMBL29779887 0.85 MMP3 (0.62) SIRT5MMP3MMP1CTSK
SCHEMBL1301778 0.83 TDP1 (0.49) SIRT5
SCHEMBL2339174 0.78 MMP3 (0.52) PTPN1MMP3
SCHEMBL1301777 0.76 TDP1 (0.50) SIRT5MMP3
SCHEMBL20827880 0.75 CAPN1 (0.52) PTPN1CTSKCAPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269162-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING FOR DIAGNOSIS OF CHRONIC LIVER DISEASE QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-11-03 US disclosed
WO-2011069009-A1 POLYUBIQUITIN LEVELS AS A PROGNOSTIC INDICATOR IN LEUKEMIA QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-06-09 WO disclosed
WO-2011028489-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-03-10 WO disclosed
WO-2011028488-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR PROLIFERATIVE HEMATOLOGICAL DISORDERS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-03-10 WO disclosed
US-20110053199-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed
US-20110053198-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR PROLIFERATIVE HEMATOLOGICAL DISORDERS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed
US-20110053197-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed